Name: 4-[(4-chlorophenyl)sulfonyl]phenol
SKU: 7402-67-7

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Basic Information

Molecular Structure:
CAS No.:	7402-67-7
Name:	4-[(4-chlorophenyl)sulfonyl]phenol
Article Data:	8

Formula:	C₁₂H₉ClO₃S
Molecular Weight:	268.721
Synonyms:	Phenol,p-[(p-chlorophenyl)sulfonyl]- (6CI,8CI);4-(4-Chlorobenzenesulfonyl)phenol;4-(4-Chlorophenylsulfonyl)phenol;4-Chloro-4'-hydroxydiphenyl sulfone;4-Chlorophenyl 4-hydroxyphenyl sulfone;4-Hydroxy-4'-chlorodiphenyl sulfone;NSC 400308;p-Chlorophenyl p-hydroxyphenyl sulfone;p-[(p-Chlorophenyl)sulfonyl]phenol;
Density:	1.428 g/cm³
Boiling Point:	462.3 °C at 760 mmHg
Flash Point:	233.4 °C

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Specification

The Phenol,4-[(4-chlorophenyl)sulfonyl]-, with the CAS registry number 7402-67-7, is also known as 4-Chloro-4'-hydroxydiphenyl sulfone. This chemical's molecular formula is C₁₂H₉ClO₃S and molecular weight is 268.72. What's more, its systematic name is 4-[(4-Chlorophenyl)sulfonyl]phenol.

Physical properties of Phenol,4-[(4-chlorophenyl)sulfonyl]- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.75 Å²; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 66.63 cm³; (9)Molar Volume: 188.1 cm³; (10)Polarizability: 26.41×10^-24cm³; (11)Surface Tension: 53.7 dyne/cm; (12)Density: 1.428 g/cm³; (13)Flash Point: 233.4 °C; (14)Enthalpy of Vaporization: 75.1 kJ/mol; (15)Boiling Point: 462.3 °C at 760 mmHg; (16)Vapour Pressure: 3.63E-09 mmHg at 25°C; (17)XLogP3: 2.9; (18)Rotatable Bond Count: 2; (19)Tautomer Count: 2; (20)Heavy Atom Count: 17; (21)Complexity: 333; (22)Covalently-Bonded Unit Count: 1.

Preparation: this chemical can be prepared by bis-(4-chloro-phenyl) sulfone at the temperature of 100 °C. This reaction will need reagent NaOH and solvent dimethylsulfoxide with the reaction time of 60 days. The yield is about 2%.

Phenol,4-[(4-chlorophenyl)sulfonyl]- can be prepared by bis-(4-chloro-phenyl) sulfone at the temperature of 100 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl
(2)InChI: InChI=1S/C12H9ClO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H
(3)InChIKey: LFASIQLVFCSCCU-UHFFFAOYSA-N